SCHEMBL9215256

SCHEMBL9215256

N#CN/C(=N\CCC(c1ccccc1)c1ccccc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TBXAS1 P24557 4/20 0.42
TBXA2R P21731 3/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLOD2 O00469 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9217826 1.00 EPHX2 (0.50) EPHX2CYP2C9CYP2C19TBXAS1TBXA2R
SCHEMBL9211715 0.88 EPHX2 (0.46) EPHX2CYP2C9CYP2C19TBXAS1TBXA2R
SCHEMBL9211713 0.88 EPHX2 (0.46) EPHX2CYP2C9CYP2C19TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL9218717 0.86 EPHX2 (0.45) EPHX2CYP2C9CYP2C19TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL9218712 0.86 EPHX2 (0.45) EPHX2CYP2C9CYP2C19TBXAS1TBXA2R
SCHEMBL9214494 0.82 EPHX2 (0.48) EPHX2TBXAS1TBXA2RLMNASMN1; SMN2
SCHEMBL6377119 0.82 EPHX2 (0.48) EPHX2TBXAS1TBXA2RLMNASMN1; SMN2
SCHEMBL9502980 0.82 SMN1; SMN2 (0.46) CYP2C19TBXAS1TBXA2RLMNASMN1; SMN2
SCHEMBL9502975 0.82 SMN1; SMN2 (0.46) CYP2C19TBXAS1TBXA2RLMNASMN1; SMN2
SCHEMBL9212178 0.81 S1PR3 (0.47) EPHX2CYP2C9CYP2C19TBXAS1TBXA2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed